diethyl 2,6-dimethyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
A
pyrrole
B
2,6-dimethyl-pyridine-3,5-dicarboxylic acid diethyl ester
Conditions | Yield |
---|---|
With hydrogenchloride In ethanol for 1h; Heating; | A n/a B 100% |
Conditions | Yield |
---|---|
With sodium methylate In tetrahydrofuran at 20℃; for 12h; Product distribution; Further Variations:; Reagents; reaction time; | A n/a B 100% |
N-p-toluenesulfonylpyrrole
pyrrole
Conditions | Yield |
---|---|
With potassium tert-butylate In dimethyl sulfoxide at 20℃; for 1h; Inert atmosphere; Darkness; Schlenk technique; | 99% |
With 3,6‐di‐tert‐butyl‐9‐mesityl‐10‐phenylacridin‐10‐ium tetrafluoroborate; N-ethyl-N,N-diisopropylamine In water; acetonitrile for 20h; Irradiation; | 70 %Spectr. |
N,N-dimethyl-1H-pyrrol-1-amine
pyrrole
Conditions | Yield |
---|---|
at 850℃; under 0.032 - 0.073 Torr; for 0.316667h; Temperature; Pressure; | 99% |
1-(tert-butyldimethylsilyl)-1H-pyrrole
pyrrole
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In tetrahydrofuran for 0.0166667h; Ambient temperature; deprotection; | 94% |
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 20℃; for 12h; Product distribution; Further Variations:; Reagents; | A n/a B 93% |
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 20℃; for 12h; Product distribution; Further Variations:; Reagents; | A n/a B 89% |
Conditions | Yield |
---|---|
With trifluoroacetic acid for 0.5h; Ambient temperature; | A 15% B 85% |
With trifluoroacetic acid for 0.5h; Product distribution; Ambient temperature; | A 15% B 85% |
Conditions | Yield |
---|---|
With 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 20℃; for 12h; Product distribution; Further Variations:; Reagents; | A 85% B n/a |
1-methyl-4-<2-(4-pyrrolyl)ethyl>pyridinium iodide
A
pyrrole
B
4-ethenyl-1-methylpyridinium iodide
Conditions | Yield |
---|---|
With sodium hydroxide In water; acetone at 25℃; for 24h; | A 84% B n/a |
Conditions | Yield |
---|---|
With iron(III) chloride heptahydrate; ammonia In water at 60℃; Paal-Knorr pyrrole synthesis; | 82% |
piperazine
A
1,4-pyrazine
B
2-Methylpyrazine
C
2-ethylpyrazine
D
pyrrole
Conditions | Yield |
---|---|
With hydrogen; Pt(0.6 percent)-Al2O3-In2O3(2.3 percent)-Re2O7(0.5 percent) at 400℃; Product distribution; other bifunctional Pt/Al2O3 modified catalysts; | A 78.7% B n/a C n/a D n/a |
Pt-Al2O3-In2O3-Re at 400℃; Further byproducts given; | A 78.7% B 1.6% C 3.5% D 0.6% |
With hydrogen; Pt(0.6 percent)-Al2O3-In2O3(2.3 percent)-Re2O7(0.5 percent) at 400℃; Yields of byproduct given; | A 78.7% B n/a C n/a D n/a |
Conditions | Yield |
---|---|
With sodium methylate In tetrahydrofuran at 20℃; for 12h; Product distribution; Further Variations:; Reagents; | A n/a B 77% |
A
pyrrole
B
(Z)-2-butenenitrile
C
crotononitrile
D
but-3-enenitrile
Conditions | Yield |
---|---|
at 650℃; under 0.2 Torr; Product distribution; Irradiation; | A 74% B 7% C 8% D 0.7% |
Conditions | Yield |
---|---|
With potassium hydroxide at 55℃; for 2h; | A n/a B 73% |
With potassium hydroxide at 55℃; for 2h; Product distribution; | A n/a B 73% |
Conditions | Yield |
---|---|
With sodium methylate In tetrahydrofuran at 20℃; for 12h; Product distribution; Further Variations:; Reagents; reaction time; | A n/a B 70% |
Conditions | Yield |
---|---|
69% |
Conditions | Yield |
---|---|
With H8O20P8Pt2(4-)*4C34H72N(1+) In methanol Inert atmosphere; Irradiation; | 61% |
A
pyrrole
B
(Z)-2-butenenitrile
C
crotononitrile
D
acrylonitrile
Conditions | Yield |
---|---|
at 500 - 700℃; under 0.2 Torr; Product distribution; Irradiation; mol. sieve (3 Angstroem); | A 59% B n/a C n/a D 6% |
Conditions | Yield |
---|---|
With carbon dioxide; palladium/alumina at 145℃; under 45004.5 Torr; for 4h; Green chemistry; | 56.2% |
With palladium diacetate In cyclohexane at 140℃; for 24h; Molecular sieve; air; | 58 %Chromat. |
With palladium diacetate In cyclohexane at 140℃; for 24h; Molecular sieve; | 58 %Chromat. |
acetyl chloride
butyryl chloride
(S)-3-(4-hydroxyphenyl)-2-pyrrol-1-yl-propionic acid methyl ester
A
pyrrole
B
(S)-3-(4-Acetoxy-phenyl)-2-(2-butyryl-pyrrol-1-yl)-propionic acid methyl ester
Conditions | Yield |
---|---|
With trifluorormethanesulfonic acid; triethylamine In dichloromethane; water; acetonitrile | A n/a B 55% |
Conditions | Yield |
---|---|
In acetonitrile at 330℃; under 97509.8 Torr; for 0.116667h; Pyrolysis; | A n/a B 55% |
alpha-cedrene
A
2-(N,N-dimethylaminomethyl)pyrrole
B
pyrrole
C
N,N-dimethyl-1H-pyrrol-1-amine
Conditions | Yield |
---|---|
With sodium hydroxide for 24h; Heating; | A 5.5% B 41% C 53% |
Conditions | Yield |
---|---|
With potassium carbonate In water at 5℃; for 168h; | 100% |
With sodium hydroxide for 3h; Ambient temperature; | 46.4% |
With potassium carbonate In water at 5℃; for 168h; Inert atmosphere; Sealed flask; Darkness; | 32% |
Conditions | Yield |
---|---|
100% | |
With benzene | |
With 1H-imidazole |
Conditions | Yield |
---|---|
With 5% Ru/MgO; hydrogen In tetrahydrofuran at 150℃; under 38002.6 Torr; for 0.7h; | 100% |
With dichloro(μ-chloro)(μ-hydrido)bis(η-p-cymene)diruthenium(II); hydrogen In neat (no solvent) at 90℃; under 60006 Torr; for 40h; | 89% |
With Cp*Rh(2-(2-pyridyl)phenyl)H; hydrogen In neat (no solvent) at 100℃; under 27361.8 Torr; for 48h; Catalytic behavior; Glovebox; | 74% |
pyrrole
lithium pyrrolide
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran; hexane for 1h; Heating; | 100% |
With n-butyllithium In hexane at -78 - 20℃; for 4.25h; Inert atmosphere; | 90% |
With lithium in fluessigem NH3; |
pyrrole
2-(3-methylbutoxy)-1,3-benzodithiole
2,5-bis(1,3-benzodithiol-2-yl)pyrrole
Conditions | Yield |
---|---|
With acetic acid for 7h; Ambient temperature; | 100% |
In acetic acid Ambient temperature; |
Conditions | Yield |
---|---|
In 1,1,2-Trichloro-1,2,2-trifluoroethane at -30℃; further temperature, further solvent; | 100% |
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; | 100% |
With sodium hydride In N,N-dimethyl-formamide | 100% |
Stage #1: pyrrole With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 1.5h; Stage #2: triisopropylsilyl chloride In tetrahydrofuran; mineral oil at 0℃; for 1.5h; | 100% |
pyrrole
4-nitrobenzaldehdye
2,2'-[(4-nitrophenyl)methylene]bis(1H-pyrrole)
Conditions | Yield |
---|---|
With hydrogenchloride In water at 20℃; for 2h; | 100% |
With tetramethyl-tetra-3,4-pyridinoporphyrazinato copper(II) methyl sulfate In water at 20℃; | 98% |
With hydrogenchloride In water at 20℃; for 2h; | 97% |
pyrrole
2,5-Bis-(2-tert-butyl-benzo[1,3]dithiol-2-yl)-1H-pyrrole
Conditions | Yield |
---|---|
With pyridine In acetonitrile for 1h; | 100% |
pyrrole
2,5-Bis-(2-phenyl-benzo[1,3]dithiol-2-yl)-1H-pyrrole
Conditions | Yield |
---|---|
With pyridine In acetonitrile for 0.166667h; Ambient temperature; | 100% |
pyrrole
2,5-bis<2-<2-(4-tolyl)-1,3-benzodithiolyl>>pyrrole
Conditions | Yield |
---|---|
With pyridine In acetonitrile for 0.166667h; Ambient temperature; | 100% |
pyrrole
2,5-Bis-[2-(4-chloro-phenyl)-benzo[1,3]dithiol-2-yl]-1H-pyrrole
Conditions | Yield |
---|---|
With pyridine In acetonitrile for 0.166667h; Ambient temperature; | 100% |
pyrrole
2,5-Bis-[2-(4-methoxy-phenyl)-benzo[1,3]dithiol-2-yl]-1H-pyrrole
Conditions | Yield |
---|---|
With pyridine In acetonitrile for 0.166667h; Ambient temperature; | 100% |
pyrrole
2-(4-Chlorophenyl)-1,3-benzoxathiolium tetrafluoroborate
2,5-Bis-[2-(4-chloro-phenyl)-benzo[1,3]oxathiol-2-yl]-1H-pyrrole
Conditions | Yield |
---|---|
With pyridine In acetonitrile for 0.5h; Ambient temperature; | 100% |
Yield given; |
pyrrole
2-(4-Methoxyphenyl)-1,3-benzoxathiolium tetrafluoroborate
2,5-bis<2-(4-methoxyphenyl)-1,3-benzoxathiolyl>pyrrole
Conditions | Yield |
---|---|
With pyridine In acetonitrile for 0.5h; Ambient temperature; | 100% |
pyrrole
2-tert-butyl-1,3-benzoxathiolium tetrefluoroborate
2,5-bis<2-(2-tert-butyl-1,3-benzoxathiolyl)>pyrrole
Conditions | Yield |
---|---|
With pyridine In acetonitrile for 0.5h; Ambient temperature; | 100% |
Conditions | Yield |
---|---|
With potassium hydroxide; 1-butyl-3-methylimidazolium Tetrafluoroborate at 80℃; for 1h; | 100% |
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide In dichloromethane; water at 20℃; Inert atmosphere; Cooling; | 99% |
With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; for 18.5h; | 98% |
pyrrole
tris(pentafluorophenyl)borate
N-[tris(pentafluorophenyl)borane]-5H-pyrrole
Conditions | Yield |
---|---|
In dichloromethane at 20℃; | 100% |
Conditions | Yield |
---|---|
Stage #1: pyrrole With n-butyllithium In tetrahydrofuran; hexane at -78℃; Stage #2: trans-Crotonaldehyde In tetrahydrofuran; hexane | 100% |
Conditions | Yield |
---|---|
Stage #1: pyrrole With n-butyllithium In tetrahydrofuran; hexane at -78℃; Stage #2: pivalaldehyde In tetrahydrofuran; hexane | 100% |
Conditions | Yield |
---|---|
Stage #1: pyrrole With n-butyllithium In tetrahydrofuran; hexane at -78℃; Stage #2: isobutyraldehyde In tetrahydrofuran; hexane | 100% |
Conditions | Yield |
---|---|
With caesium carbonate; copper(I) oxide; trans-N,N'-bis(pyridin-2-ylmethylene)cyclohexane-1,2-diamine In acetonitrile at 50 - 82℃; for 96h; Conversion of starting material; | 100% |
Stage #1: pyrrole With caesium carbonate; copper(I) oxide; trans-N,N'-bis(pyridin-2-ylmethylene)cyclohexane-1,2-diamine at 100℃; Stage #2: iodobenzene In acetonitrile at 50℃; for 96h; | 100% |
With copper(II) ferrite; potassium tert-butylate In N,N-dimethyl-formamide at 155℃; for 24h; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
phosphazene base-P4-tert-butyl In hexane; dimethyl sulfoxide at 120℃; for 24h; | 100% |
Conditions | Yield |
---|---|
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide | 100% |
With C4H13NO4S; sodium hydroxide | 100% |
With sodium hydroxide; 2-acrylamido-2-methylpropanesulfonic acid In acetonitrile |
pyrrole
methyl 3,3,3-trifluoropyruvate
Conditions | Yield |
---|---|
at 20℃; for 0.0166667h; Friedel-Crafts reaction; | 100% |
Conditions | Yield |
---|---|
In trifluoroacetic acid at 20℃; for 0.25h; | 100% |
pyrrole
1,4-bis<2-<2-<2-(o-formylphenoxy)ethoxy>ethoxy>ethoxy>benzene
C48H54N4O8
Conditions | Yield |
---|---|
In trifluoroacetic acid at 20℃; for 0.25h; | 100% |
pyrrole
2,3:5,6-di-O-isopropylidene-α-D-mannofuranosyl trichloroacetamidate
Conditions | Yield |
---|---|
boron trifluoride diethyl etherate In diethyl ether; dichloromethane at -50 - 18℃; for 2.33h; | 100% |
The IUPAC name of Pyrrole is 1H-pyrrole. With the CAS registry number 109-97-7, it is also named as 1-Aza-2,4-cyclopentadiene. The product's categories are Porphyrins; Pyrrole; Halogenated; Organohalides; Porphyrin Building Blocks; Alkoxy; Organoborons; Functional Materials; Pyrroles (for Conduting Polymer Research); Reagents for Conducting Polymer Research, and the other registry numbers are 21995-14-2; 45361-50-0. Besides, it is colourless to brown liquid with chloroform odour, which should be stored in a cool, ventilated warehouse at 0-6 °C. In addition, its molecular formula is C4H5N and molecular weight is 67.09.
The other characteristics of this product can be summarized as: (1)EINECS: 203-724-7; (2)ACD/LogP: 0.85; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.845; (5)ACD/LogD (pH 7.4): 0.845; (6)ACD/BCF (pH 5.5): 2.584; (7)ACD/BCF (pH 7.4): 2.584; (8)ACD/KOC (pH 5.5): 68.671; (9)ACD/KOC (pH 7.4): 68.671; (10)#H bond acceptors: 1; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 0; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 20.686 cm3; (15)Molar Volume: 67.756 cm3; (16)Surface Tension: 36.799 dyne/cm; (17)Density: 0.99 g/cm3; (18)Flash Point: 33.333 °C; (19)Melting Point: -23 °C; (20)Water solubility: 60 g/L (20 °C); (21)Enthalpy of Vaporization: 38.75 kJ/mol; (22)Boiling Point: 129.76 °C at 760 mmHg; (23)Vapour Pressure: 12.234 mmHg at 25 °C.
Preparation of Pyrrole: this chemical can be prepared by treating Furan with Ammonia in the presence of solid acid catalysts.
Uses of Pyrrole: this chemical can be used for the synthesis of drugs and spices and other fine chemicals. It can also be used as standard substance in chromatographic analysis. Additionally, it is used in organic synthesis and pharmaceutical industry. And it can react with 4-Chloro-benzoyl chloride to get 1-(4-Chloro-benzoyl)-pyrrole.
This reaction needs Et3N, DMAP and CH2Cl2 at ambient temperature. The yield is 82 %.
When you are using this chemical, please be cautious about it as the following: it is flammable, so please keep away from sources of ignition. It is also harmful by inhalation, and toxic if swallowed. Moreover, it is risk of serious damage to the eyes. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable gloves and eye/face protection to avoid contact with skin. Furthermore, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CNC=C1
(2)InChI: InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
(3)InChIKey: KAESVJOAVNADME-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 98mg/kg (98mg/kg) | Progress in Biochemical Pharmacology. Vol. 1, Pg. 542, 1965. | |
mouse | LD50 | subcutaneous | 61mg/kg (61mg/kg) | "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 335, 1969. | |
rabbit | LDLo | intraperitoneal | 150mg/kg (150mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 36, Pg. 387, 1930. | |
rabbit | LDLo | oral | 147mg/kg (147mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 36, Pg. 387, 1930. |
rabbit | LDLo | subcutaneous | 250mg/kg (250mg/kg) | Archives Internationales de Pharmacodynamie et de Therapie. Vol. 36, Pg. 387, 1930. |
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